2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine

C14H11ClF3NO2 — CID 102715215

IUPAC2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C)ccc1Oc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C14H11ClF3NO2/c1-8-3-4-10(11(5-8)20-2)21-13-7-9(14(16,17)18)6-12(15)19-13/h3-7H,1-2H3
InChIKeyPOSBKGHRBHRQNV-UHFFFAOYSA-N
MW317.69 g/mol
LogP4.86
Rot. Bonds3

About 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine

2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine (PubChem CID 102715215) has the molecular formula C14H11ClF3NO2 and a molecular weight of 317.69 g/mol. Its IUPAC name is 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine
PubChem CID102715215
Molecular FormulaC14H11ClF3NO2
Molecular Weight317.69 g/mol
Exact Mass317.04
IUPAC Name2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine
SMILESCOc1cc(C)ccc1Oc1cc(C(F)(F)F)cc(Cl)n1
InChIInChI=1S/C14H11ClF3NO2/c1-8-3-4-10(11(5-8)20-2)21-13-7-9(14(16,17)18)6-12(15)19-13/h3-7H,1-2H3
InChIKeyPOSBKGHRBHRQNV-UHFFFAOYSA-N
XLogP4.86
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.69
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-6-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-4-(trifluoromethyl)pyridine
CID 103174626
4-chloro-6-(2-methoxy-4-methylphenoxy)pyrimidin-2-amine
CID 80739225
2-chloro-6-(2-ethylphenoxy)-4-(trifluoromethyl)pyridine
CID 102715226
2-chloro-6-[(4-methoxyphenyl)methoxy]-4-(trifluoromethyl)pyridine
CID 102715155
[6-(2,5-dimethylphenoxy)-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721260
2-fluoro-6-(2-methoxy-4-methylphenoxy)pyridine
CID 59191403
2-chloro-6-(2-nitrophenoxy)-4-(trifluoromethyl)pyridine
CID 102715235
4-chloro-6-(2-methoxy-5-methylphenyl)-2-(trifluoromethyl)pyrimidine
CID 106768889
2-chloro-6-(3-fluorophenoxy)-4-(trifluoromethyl)pyridine
CID 102715210
2-chloro-6-(3-ethoxyphenoxy)-4-(trifluoromethyl)pyridine
CID 102715253
2-chloro-6-(3-methylbutoxy)-4-(trifluoromethyl)pyridine
CID 102715140
2-(2-methoxy-4-methylphenoxy)-6-methylpyridine-4-carbothioamide
CID 114768122

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine?
The IUPAC name of 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine (CID 102715215) is 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine.
What is the SMILES notation for 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine?
The canonical SMILES for 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine is COc1cc(C)ccc1Oc1cc(C(F)(F)F)cc(Cl)n1.
What is the InChIKey of 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine?
The InChIKey is POSBKGHRBHRQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClF3NO2/c1-8-3-4-10(11(5-8)20-2)21-13-7-9(14(16,17)18)6-12(15)19-13/h3-7H,1-2H3.
What are the key properties of 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine?
2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine has a molecular weight of 317.69 g/mol, XLogP of 4.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(2-methoxy-4-methylphenoxy)-4-(trifluoromethyl)pyridine is sourced from PubChem (CID 102715215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).